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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)butan-2-amine (1R,2S)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.97 -38.61 3 3 1 43 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 6.55 -42.04 3 3 1 44 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 8.28 -128.27 4 3 2 45 289.467 4 ↓

Analogs

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Popular Name: (1R,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)butan-2-amine (1R,2R)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.69 -36.06 3 3 1 43 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 6.58 -44.7 3 3 1 44 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 8.02 -124.19 4 3 2 45 289.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)butan-2-amine (1S,2S)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.7 -38.12 3 3 1 43 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 6.54 -44.67 3 3 1 44 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 8.01 -124.04 4 3 2 45 289.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)butan-2-amine (1S,2R)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.87 -34.78 3 3 1 43 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 5.8 -43.68 3 3 1 44 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 8.31 -128.92 4 3 2 45 289.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(4-pyridyl)ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 4.66 -47.72 3 3 1 44 260.405 3 ↓
Hi High (pH 8-9.5) 1.32 4.71 -3.17 2 3 0 42 259.397 3 ↓
Mid Mid (pH 6-8) 1.32 6.26 -38.89 3 3 1 43 260.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(4-pyridyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 4.67 -47.39 3 3 1 44 260.405 3 ↓
Hi High (pH 8-9.5) 1.32 4.65 -2.92 2 3 0 42 259.397 3 ↓
Mid Mid (pH 6-8) 1.32 6.87 -34.62 3 3 1 43 260.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)propan-2-amine (1R,2S)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 4.94 -44.21 3 3 1 44 274.432 3 ↓
Hi High (pH 8-9.5) 1.73 4.64 -2.33 2 3 0 42 273.424 3 ↓
Mid Mid (pH 6-8) 1.73 7.17 -38.17 3 3 1 43 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)propan-2-amine (1R,2R)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 5.64 -45.08 3 3 1 44 274.432 3 ↓
Hi High (pH 8-9.5) 1.73 5.33 -2.33 2 3 0 42 273.424 3 ↓
Mid Mid (pH 6-8) 1.73 6.87 -35.71 3 3 1 43 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)propan-2-amine (1S,2S)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 5.77 -45.12 3 3 1 44 274.432 3 ↓
Hi High (pH 8-9.5) 1.73 4.5 -2.61 2 3 0 42 273.424 3 ↓
Mid Mid (pH 6-8) 1.73 6.87 -37.64 3 3 1 43 274.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)propan-2-amine (1S,2R)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 4.94 -44.15 3 3 1 44 274.432 3 ↓
Hi High (pH 8-9.5) 1.73 4.63 -2.46 2 3 0 42 273.424 3 ↓
Mid Mid (pH 6-8) 1.73 7.5 -128.63 4 3 2 45 275.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2-chloro-4-pyridyl)methyl]-8-azaspiro[4.5]decane 8-[(2-chloro-4-pyridyl)methyl]-8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 9.09 -44.73 1 2 1 17 265.808 2 ↓
Hi High (pH 8-9.5) 3.36 6.83 -3.84 0 2 0 16 264.8 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)pyridin-2-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 7.4 -39.82 3 3 1 43 246.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-pyridin-2-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.31 -39.9 2 3 1 29 260.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-pyridin-2-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.91 9.12 -39.71 2 3 1 29 274.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-N-propyl-pyridin-2-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 9.88 -39.63 2 3 1 29 288.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(8-azaspiro[4.5]decan-8-ylmethyl)-2-pyridyl]hydrazine [4-(8-azaspiro[4.5]decan-8-ylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 7.31 -41.77 4 4 1 55 261.393 3 ↓

Parameters Provided:

ring.id = 317431
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 317431 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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